1-ethylsulfanyl-N,N-dimethylethenamine

C6H13NS — CID 102249013

IUPAC1-ethylsulfanyl-N,N-dimethylethenamine
SMILESC=C(SCC)N(C)C
InChIInChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h2,5H2,1,3-4H3
InChIKeyVNANYGAKQHPRBR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.77
Rot. Bonds3

About 1-ethylsulfanyl-N,N-dimethylethenamine

1-ethylsulfanyl-N,N-dimethylethenamine (PubChem CID 102249013) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-ethylsulfanyl-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-ethylsulfanyl-N,N-dimethylethenamine
PubChem CID102249013
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-ethylsulfanyl-N,N-dimethylethenamine
SMILESC=C(SCC)N(C)C
InChIInChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h2,5H2,1,3-4H3
InChIKeyVNANYGAKQHPRBR-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethenamine, N,N-dimethyl-1-(methylthio)-
CID 141150
4-fluoro-2,3-dimethyl-2H-1,3-thiazole
CID 146392761
1-methylthio-1-(N,N-diethylamino)ethene
CID 12244236
(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
CID 134875844
(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
CID 134923137
Xemljnlycnpyiu-aatrikpksa-
CID 23264363
3-Methyl-2-methylidene-1,3-thiazolidine
CID 11457681
1-ethenylsulfanyl-N,N-dimethylethanamine
CID 22465143
2,3-dimethyl-2H-1,3-thiazole
CID 23182463
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
(2S)-2,3-dimethyl-2H-1,3-thiazole
CID 59864797
2-(Ethylsulfanyl)-N,N-dimethylethen-1-amine
CID 71393439

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N,N-dimethylethenamine?
The IUPAC name of 1-ethylsulfanyl-N,N-dimethylethenamine (CID 102249013) is 1-ethylsulfanyl-N,N-dimethylethenamine.
What is the SMILES notation for 1-ethylsulfanyl-N,N-dimethylethenamine?
The canonical SMILES for 1-ethylsulfanyl-N,N-dimethylethenamine is C=C(SCC)N(C)C.
What is the InChIKey of 1-ethylsulfanyl-N,N-dimethylethenamine?
The InChIKey is VNANYGAKQHPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h2,5H2,1,3-4H3.
What are the key properties of 1-ethylsulfanyl-N,N-dimethylethenamine?
1-ethylsulfanyl-N,N-dimethylethenamine has a molecular weight of 131.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N,N-dimethylethenamine is sourced from PubChem (CID 102249013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).